(2S)-N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-[2-(difluoromethylsulfanyl)phenyl]-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-[2-(difluoromethylthio)phenyl]-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-[2-(difluoromethylsulfanyl)phenyl]-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-[2-(difluoromethylthio)phenyl]-2-piperazin-4-ium-1-yl-propionamide Formula: C14H20F2N3OS+ MolecularWeight: 316.389906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC(F)F)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC(F)F)N2CC[NH2+]CC2

InChI

InChI=1S/C14H19F2N3OS/c1-10(19-8-6-17-7-9-19)13(20)18-11-4-2-3-5-12(11)21-14(15)16/h2-5,10,14,17H,6-9H2,1H3,(H,18,20)/p+1/t10-/m0/s1